(3E)-4-ethenyl-2-imino-8-methyldeca-3,9-dien-3-amine

C13H22N2 — CID 126593771

IUPAC(3E)-4-ethenyl-2-imino-8-methyldeca-3,9-dien-3-amine
SMILES[H]/N=C(C)/C(N)=C(\C=C)CCCC(C)C=C
InChIInChI=1S/C13H22N2/c1-5-10(3)8-7-9-12(6-2)13(15)11(4)14/h5-6,10,14H,1-2,7-9,15H2,3-4H3/b13-12-,14-11+
InChIKeySTSJDBJOPKUCHA-OGHGCCBLSA-N
MW206.33 g/mol
LogP3.42
Rot. Bonds7

About (3E)-4-ethenyl-2-imino-8-methyldeca-3,9-dien-3-amine

(3E)-4-ethenyl-2-imino-8-methyldeca-3,9-dien-3-amine (PubChem CID 126593771) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (3E)-4-ethenyl-2-imino-8-methyldeca-3,9-dien-3-amine.

Molecular Properties

Compound Name(3E)-4-ethenyl-2-imino-8-methyldeca-3,9-dien-3-amine
PubChem CID126593771
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(3E)-4-ethenyl-2-imino-8-methyldeca-3,9-dien-3-amine
SMILES[H]/N=C(C)/C(N)=C(\C=C)CCCC(C)C=C
InChIInChI=1S/C13H22N2/c1-5-10(3)8-7-9-12(6-2)13(15)11(4)14/h5-6,10,14H,1-2,7-9,15H2,3-4H3/b13-12-,14-11+
InChIKeySTSJDBJOPKUCHA-OGHGCCBLSA-N
XLogP3.42
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-4-ethenyl-2-imino-8-methyldeca-3,9-dien-3-amine?
The IUPAC name of (3E)-4-ethenyl-2-imino-8-methyldeca-3,9-dien-3-amine (CID 126593771) is (3E)-4-ethenyl-2-imino-8-methyldeca-3,9-dien-3-amine.
What is the SMILES notation for (3E)-4-ethenyl-2-imino-8-methyldeca-3,9-dien-3-amine?
The canonical SMILES for (3E)-4-ethenyl-2-imino-8-methyldeca-3,9-dien-3-amine is [H]/N=C(C)/C(N)=C(\C=C)CCCC(C)C=C.
What is the InChIKey of (3E)-4-ethenyl-2-imino-8-methyldeca-3,9-dien-3-amine?
The InChIKey is STSJDBJOPKUCHA-OGHGCCBLSA-N. The full InChI is InChI=1S/C13H22N2/c1-5-10(3)8-7-9-12(6-2)13(15)11(4)14/h5-6,10,14H,1-2,7-9,15H2,3-4H3/b13-12-,14-11+.
What are the key properties of (3E)-4-ethenyl-2-imino-8-methyldeca-3,9-dien-3-amine?
(3E)-4-ethenyl-2-imino-8-methyldeca-3,9-dien-3-amine has a molecular weight of 206.33 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-ethenyl-2-imino-8-methyldeca-3,9-dien-3-amine is sourced from PubChem (CID 126593771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).